Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UFH8559WS5
EPA CompTox DTXSID2021577

Structure

InChI Key SUNMBRGCANLOEG-UHFFFAOYSA-N
Smiles ClCC(=O)CCl
InChI
InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2O1
Molecular Weight 125.96
AlogP 1.03
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 534-07-6
NORMAN SUSDAT
FDA SRS UFH8559WS5
PubChem 10793
ChemSpider 21106513.0